3-Fluorobenzotrifluoride
Properties
- Molecular formula
- C7H4F4
- Molar mass
- 164.10 g/mol
- Exact mass
- 164.0249 Da
- Density
- 1.2891 g/mL (at 25.4 °C)
- Melting point
- −81.5 °C
- Boiling point
- 101.5 °C
- logP
- 2.84Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Identifiers
CAS number
401-80-9SMILES
Fc1cccc(C(F)(F)F)c1InChIKey
GBOWGKOVMBDPJF-UHFFFAOYSA-NInChI
InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzene, 1-fluoro-3-(trifluoromethyl)-
- Toluene, m,α,α,α-tetrafluoro-
- 1-Fluoro-3-(trifluoromethyl)benzene
- m-Fluorobenzotrifluoride
- Trifluoromethyl-3-fluorobenzene
- m,α,α,α-Tetrafluorotoluene
- m-Fluoro(trifluoromethyl)benzene
- 3-Fluoro(trifluoromethyl)benzene
- m-(Trifluoromethyl)fluorobenzene
- NSC 10315
- α,α,α,3-Tetrafluorotoluene
Work with 3-Fluorobenzotrifluoride
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,5-Bis(trifluoromethyl)benzene402-31-371 % similar
1-Fluoro-3-(trichloromethyl)benzene401-77-458 % similar
3-Chlorobenzotrifluoride98-15-758 % similar
1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-856 % similar
1-Bromo-3-(trifluoromethyl)benzene401-78-556 % similar
1-Methyl-3-(trifluoromethyl)benzene401-79-656 % similar
1-Iodo-3-(trifluoromethyl)benzene401-81-056 % similar
3-(Trifluoromethyl)aniline98-16-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds